%chk=000178901.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178901

0 1
 O    4.717600      -1.318900      0.4973000    
 O   -3.700000       2.015400     -0.7701000    
 O   -3.541900      -3.719100     -0.1684000    
 O   -5.085100      0.5416000      0.2447000    
 O   -5.073000      -2.056600     -0.2803000    
 N  -0.7796000     -0.8516000      6.7000002E-02
 N   -1.533900      -1.961900      6.0000003E-04
 C   -1.496700      0.3106000      1.7800000E-02
 C   -2.814200     -7.2400004E-02 -8.8699996E-02
 C   0.6072000     -0.9694000      0.1756000    
 C  -0.9099000       1.627400      7.2899997E-02
 C   -2.775900      -1.479600     -9.4300002E-02
 C    1.192000      -1.034900       1.433000    
 C    1.381900      -1.019100     -0.9755000    
 C    3.365500      -1.203300      0.3914000    
 C  -0.7209000       2.256700       1.303300    
 C  -0.5325000       2.271800      -1.105100    
 C    2.577700      -1.152400       1.541400    
 C    2.767600      -1.136700     -0.8670000    
 C   -3.946000      0.8040000     -0.1727000    
 C    5.502400     -0.7336000     -0.5405000    
 C   -3.882400      -2.390100     -0.1877000    
 C  -0.1545000       3.530400       1.355700    
 C   3.4000002E-02   3.545300      -1.052900    
 C    6.845400     -0.3128000      3.6499999E-02
 C   0.2229000       4.174600      0.1776000    
 C    7.732500      0.3347000      -1.011500    
 H   0.5891000     -0.9962000       2.336600    
 H   0.9268000     -0.9739000      -1.961600    
 H   -1.010000       1.768000       2.230800    
 H  -0.6729000       1.794900      -2.072400    
 H    3.038000      -1.203600       2.524300    
 H    3.341100      -1.200700      -1.787000    
 H    5.019000      0.1606000     -0.9552000    
 H    5.648900      -1.472100      -1.337300    
 H    6.686700      0.3821000      0.8699000    
 H    7.351300      -1.186300      0.4650000    
 H  -7.3000002E-03   4.020400       2.313700    
 H   0.3281000       4.047000      -1.970200    
 H   0.6640000       5.166200      0.2183000    
 H    7.263400       1.234600      -1.421800    
 H    8.691700      0.6234000     -0.5705000    
 H    7.932600     -0.3558000      -1.837100    
 H   -4.505900       2.573900     -0.8001000    
 H   -4.332800      -4.295800     -0.2346000    


%chk=000178901-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178901

0 1
O 4.834676 -1.244909 0.528535
O -4.210068 1.577195 -1.269368
O -3.602941 -3.636501 0.893641
O -5.178578 0.474377 0.528715
O -4.957829 -2.415826 -0.550495
N -0.782576 -0.712633 0.135816
N -1.503945 -1.892609 0.289404
C -1.603085 0.394713 -0.130113
C -2.922058 -0.115409 -0.157384
C 0.653873 -0.795666 0.210063
C -1.095587 1.786600 -0.166604
C -2.805319 -1.519237 0.121428
C 1.232130 -1.699331 1.136493
C 1.476137 -0.038557 -0.651701
C 3.460393 -1.048073 0.363814
C -0.312248 2.280300 0.913278
C -1.386021 2.645143 -1.259051
C 2.627510 -1.823502 1.212152
C 2.879684 -0.154733 -0.572716
C -4.196343 0.630379 -0.229381
C 5.757639 -0.479377 -0.334361
C -3.893873 -2.522074 0.101762
C 0.172771 3.604104 0.896932
C -0.893054 3.968316 -1.274087
C 7.179611 -0.886628 0.057972
C -0.112557 4.452452 -0.199215
C 8.237927 -0.138987 -0.782390
H 0.579402 -2.303477 1.772044
H 1.031666 0.636359 -1.388117
H -0.094420 1.629749 1.767259
H -2.001289 2.273530 -2.082410
H 3.096269 -2.514464 1.918595
H 3.499616 0.441412 -1.247361
H 5.596948 0.607818 -0.176330
H 5.554492 -0.719226 -1.399036
H 7.326109 -0.677241 1.133817
H 7.286764 -1.979153 -0.074559
H 0.767735 3.974138 1.738822
H -1.121339 4.620370 -2.124250
H 0.265956 5.480602 -0.212048
H 8.164129 0.956147 -0.644557
H 9.256639 -0.445521 -0.487135
H 8.122914 -0.353649 -1.861444
H -5.083289 2.056235 -1.241406
H -4.352571 -4.286357 0.805876


